Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 1/20 | 0.48 |
| ▸ | AAK1 | Q2M2I8 | 10/20 | 0.42 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.41 |
| ▸ | GSK3B | P49841 | 1/20 | 0.41 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.41 |
| ▸ | BMP2K | Q9NSY1 | 1/20 | 0.41 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.40 |
| ▸ | DPP4 | P27487 | 1/20 | 0.40 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.40 |
| ▸ | MAP4K4 | O95819 | 3/20 | 0.40 |
| ▸ | AKT1 | P31749 | 2/20 | 0.40 |
| ▸ | CLK2 | P49760 | 2/20 | 0.40 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.40 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.40 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.40 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.40 |
| ▸ | PRKCG | P05129 | 1/20 | 0.40 |
| ▸ | PIM1 | P11309 | 1/20 | 0.40 |
| ▸ | PRKACA | P17612 | 1/20 | 0.40 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.40 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL3354836 | 0.79 | ROCK2 (0.59) | ROCK2AAK1CHEK1GSK3BMKNK1 | |
| SCHEMBL3354838 | 0.79 | ROCK2 (0.59) | ROCK2AAK1CHEK1GSK3BMKNK1 | |
| SCHEMBL17653243 | 0.72 | AAK1 (0.73) | AAK1CHEK1GSK3BMKNK1BMP2K | |
| SCHEMBL3355527 | 0.68 | ROCK2 (0.46) | ROCK2CHEK1GSK3BMAP4K4ROCK1 | |
| SCHEMBL18040189 | 0.66 | GRIN2D (0.67) | DPP4 | |
| SCHEMBL3496826 | 0.65 | TRIM58 (0.45) | PIK3CAMAP4K4 | |
| SCHEMBL1157043 | 0.65 | SLC6A4 (0.60) | DPP4 | |
| SCHEMBL16974250 | 0.64 | PDGFRB (0.49) | AAK1CHEK1GSK3BMKNK1BMP2K | |
| Hydrochloric Acid SCHEMBL9322405 | 0.64 | SLC6A4 (0.58) | DPP4 | |
| Hydrochloric Acid SCHEMBL9322527 | 0.64 | SLC6A4 (0.58) | DPP4 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2010056758-A1 | QUINAZOLINE DERIVATIVES AS KINASE INHIBITORS | FENG YANGBO (US) | 2010-05-20 | — | — | WO | disclosed |